Compile Data Set for Download or QSAR
Found 9 Enz. Inhib. hit(s) for PDB: 2I6A
TargetAdenosine kinase(Rattus norvegicus (rat))
Abbott Laboratories

LigandPNGBDBM14486((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Affinity DataIC50: 0.900nMpH: 7.5 T: 2°CAssay Description:ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...More data for this Ligand-Target Pair
TargetAdenosine kinase(Rattus norvegicus (rat))
Abbott Laboratories

LigandPNGBDBM14486((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Affinity DataIC50: 1.60nMAssay Description:In vitro inhibition of Adenosine kinase of rat brain cytosol.More data for this Ligand-Target Pair
TargetAdenosine kinase(Rattus norvegicus (rat))
Abbott Laboratories

LigandPNGBDBM14486((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Affinity DataIC50: 1.60nMAssay Description:In vitro inhibition of Adenosine kinase (AK)More data for this Ligand-Target Pair
TargetAdenosine kinase(Homo sapiens (Human))
Vigo University

Curated by ChEMBL
LigandPNGBDBM14486((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Affinity DataIC50: 8.91nMAssay Description:Concentration required for 50% inhibition of the adenosine kinase (AK) activity.More data for this Ligand-Target Pair
TargetAdenosine kinase(Homo sapiens (Human))
Vigo University

Curated by ChEMBL
LigandPNGBDBM14486((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Affinity DataIC50: 9nMAssay Description:Inhibition of human adenosine kinase activityMore data for this Ligand-Target Pair
TargetAdenosine kinase(Homo sapiens (Human))
Vigo University

Curated by ChEMBL
LigandPNGBDBM14486((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Affinity DataIC50: 9nMAssay Description:Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligandMore data for this Ligand-Target Pair
TargetAdenosine kinase(Homo sapiens (Human))
Vigo University

Curated by ChEMBL
LigandPNGBDBM14486((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Affinity DataIC50: 9nMAssay Description:Inhibition of recombinant human adenosine kinaseMore data for this Ligand-Target Pair
TargetAdenosine kinase(Homo sapiens (Human))
Vigo University

Curated by ChEMBL
LigandPNGBDBM14486((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Affinity DataIC50: 22.8nMAssay Description:Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells.More data for this Ligand-Target Pair
TargetAdenosine kinase(Homo sapiens (Human))
Vigo University

Curated by ChEMBL
LigandPNGBDBM14486((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Affinity DataIC50: 9.00E+6nMAssay Description:Inhibition of adenosine kinase (unknown origin)More data for this Ligand-Target Pair